#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wfs n SER 2 N 0.00 -1.86 -3.60 1.61 7.64 -1.26 -5.05 113.62 111.10 1wfs n SER 2 Ca 0.00 -0.01 -0.12 0.00 1.01 0.00 0.00 58.87 59.75 1wfs n SER 2 Cb 0.00 -1.15 -0.06 0.00 -1.01 0.00 0.00 64.21 61.99 1wfs n SER 2 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1wfs s SER 3 N -2.13 -0.50 0.55 6.43 1.04 -1.26 -5.16 113.70 112.67 1wfs s SER 3 Ca 0.61 0.76 -0.20 0.00 0.48 0.00 0.00 55.95 57.61 1wfs s SER 3 Cb -0.19 0.70 -0.05 0.00 0.10 0.00 0.00 66.02 66.58 1wfs s SER 3 CO 0.65 -0.31 1.17 -0.83 0.98 0.00 0.00 173.24 174.90 1wfs s GLY 4 N -0.46 2.70 0.23 7.32 0.00 -1.26 -4.88 107.32 110.98 1wfs s GLY 4 Ca -0.01 0.91 -0.01 0.00 0.00 0.00 0.00 44.72 45.61 1wfs s GLY 4 CO 0.00 1.30 1.22 1.44 0.00 0.00 0.00 173.10 177.06 1wfs n SER 5 N -1.28 -0.15 0.05 1.64 7.64 -1.26 -4.65 113.62 115.61 1wfs n SER 5 Ca 0.12 1.33 0.00 0.00 1.01 0.00 0.00 58.87 61.33 1wfs n SER 5 Cb 0.50 -0.46 0.00 0.00 -1.01 0.00 0.00 64.21 63.24 1wfs n SER 5 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 1wfs n SER 6 N -5.15 -0.87 0.00 6.43 2.88 -1.26 -5.13 113.62 110.51 1wfs n SER 6 Ca 0.16 0.37 0.00 0.00 -1.33 0.00 0.00 58.87 58.07 1wfs n SER 6 Cb 0.53 1.06 0.00 0.00 -0.75 0.00 0.00 64.21 65.05 1wfs n SER 6 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1wfs n GLY 7 N -1.17 1.85 1.18 0.46 0.00 -1.26 -4.13 105.19 102.11 1wfs n GLY 7 Ca 0.00 0.01 -0.03 0.00 0.00 0.00 0.00 46.02 46.00 1wfs n GLY 7 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1wfs n SER 8 N 0.70 -0.26 -3.54 1.61 7.64 -1.26 -5.00 113.62 113.51 1wfs n SER 8 Ca 0.00 -1.99 -0.20 0.00 1.01 0.00 0.00 58.87 57.68 1wfs n SER 8 Cb 0.00 0.08 0.08 0.00 -1.01 0.00 0.00 64.21 63.36 1wfs n SER 8 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 1wfs n ASP 9 N 0.18 -3.50 -4.01 6.43 9.92 -1.26 -5.01 116.55 119.31 1wfs n ASP 9 Ca -0.15 -0.62 -0.19 0.00 -0.53 0.00 0.00 54.79 53.29 1wfs n ASP 9 Cb 0.86 -4.94 -0.15 0.00 -0.64 0.00 0.00 41.12 36.26 1wfs n ASP 9 CO 0.00 0.00 0.00 -0.44 0.13 0.00 0.00 177.20 176.89 1wfs s SER 10 N -3.97 1.12 0.00 -2.24 0.01 -1.26 -5.15 113.70 102.21 1wfs s SER 10 Ca 0.22 -0.17 0.00 0.00 1.31 0.00 0.00 55.95 57.31 1wfs s SER 10 Cb -0.10 -0.22 0.00 0.00 0.21 0.00 0.00 66.02 65.91 1wfs s SER 10 CO 0.74 0.08 0.00 0.18 0.41 0.00 0.00 173.24 174.66 1wfs n LEU 11 N 3.10 0.00 -2.20 2.44 4.77 -1.26 -5.04 117.00 118.80 1wfs n LEU 11 Ca -0.16 0.00 -0.28 0.00 -0.03 0.00 0.00 56.01 55.54 1wfs n LEU 11 Cb 0.55 0.00 0.05 0.00 -2.33 0.00 0.00 43.42 41.70 1wfs n LEU 11 CO 0.25 0.00 1.38 0.52 -1.33 0.00 0.00 177.39 178.20 1wfs n VAL 12 N 0.00 3.28 -0.95 4.08 0.31 -1.26 -4.98 118.33 118.80 1wfs n VAL 12 Ca 0.00 -2.51 -0.41 0.00 -0.01 0.00 0.00 64.34 61.41 1wfs n VAL 12 Cb 0.00 -1.26 -0.09 0.00 -0.91 0.00 0.00 33.84 31.58 1wfs n VAL 12 CO 0.00 0.00 0.00 0.52 -1.32 0.00 0.00 176.83 176.03 1wfs n VAL 13 N -0.30 0.00 -3.74 2.52 0.31 -1.26 -4.74 118.33 111.12 1wfs n VAL 13 Ca 0.49 0.00 -0.20 0.00 -0.01 0.00 0.00 64.34 64.62 1wfs n VAL 13 Cb 0.60 -0.37 -0.02 0.00 -0.91 0.00 0.00 33.84 33.14 1wfs n VAL 13 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1wfs s GLU 15 N -4.05 1.83 -0.55 0.00 0.41 -1.07 -4.83 118.70 110.44 1wfs s GLU 15 Ca 0.40 -0.66 -0.11 0.00 -0.41 0.00 0.00 54.97 54.19 1wfs s GLU 15 Cb -0.08 -2.23 0.14 0.00 -1.78 0.00 0.00 34.13 30.18 1wfs s GLU 15 CO 0.29 -1.41 0.45 0.54 -0.49 0.00 0.00 175.26 174.64 1wfs s VAL 16 N -3.23 4.66 0.13 2.63 0.11 -1.26 -0.24 120.40 123.21 1wfs s VAL 16 Ca 0.64 -1.86 -0.18 0.00 -2.93 0.00 0.00 61.98 57.64 1wfs s VAL 16 Cb -0.08 -4.01 -0.11 0.00 -1.53 0.00 0.00 36.38 30.65 1wfs s VAL 16 CO 0.45 -0.84 0.34 -0.67 -3.33 0.00 0.00 175.10 171.04 1wfs n ASP 17 N 4.80 -0.84 0.15 3.54 -0.08 -0.75 -4.63 116.55 118.73 1wfs n ASP 17 Ca -0.06 0.74 -0.00 0.00 -1.51 0.00 0.00 54.79 53.96 1wfs n ASP 17 Cb 0.41 -0.63 0.25 0.00 2.34 0.00 0.00 41.12 43.50 1wfs n ASP 17 CO 0.00 0.00 0.00 1.55 0.12 0.00 0.00 177.20 178.87 1wfs h PRO 18 N 0.65 0.05 0.00 -0.67 0.13 -1.97 -1.18 132.00 129.02 1wfs h PRO 18 Ca -0.19 -0.03 -0.09 0.00 -0.87 0.00 0.00 66.00 64.82 1wfs h PRO 18 Cb 0.95 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.07 1wfs h PRO 18 CO 0.37 0.53 -0.43 1.05 -0.23 0.00 0.00 178.00 179.29 1wfs h GLU 19 N 0.04 0.00 0.14 0.86 -0.00 -1.95 -3.23 114.58 110.45 1wfs h GLU 19 Ca -0.00 0.00 -0.35 0.00 -0.00 0.00 0.00 59.36 59.01 1wfs h GLU 19 Cb 0.87 0.00 -0.01 0.00 -0.00 0.00 0.00 28.75 29.62 1wfs h GLU 19 CO 0.07 0.43 -1.82 1.25 -0.00 0.00 0.00 179.01 178.94 1wfs h LEU 20 N 0.00 0.46 -0.86 3.06 6.46 -1.82 -3.33 115.31 119.27 1wfs h LEU 20 Ca -0.00 -0.81 0.22 0.00 -0.12 0.00 0.00 57.88 57.17 1wfs h LEU 20 Cb 0.99 -0.15 -0.14 0.00 -0.73 0.00 0.00 40.66 40.63 1wfs h LEU 20 CO 0.06 1.71 0.20 0.50 -0.62 0.00 0.00 178.44 180.28 1wfs h LYS 21 N 0.08 0.19 -0.24 1.25 3.64 -1.23 0.10 116.57 120.35 1wfs h LYS 21 Ca -0.36 -0.01 -0.03 0.00 -1.27 0.00 0.00 60.65 58.98 1wfs h LYS 21 Cb 2.06 -0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 33.82 1wfs h LYS 21 CO 0.13 0.13 0.02 0.93 -2.27 0.00 0.00 179.45 178.39 1wfs h GLU 22 N 0.20 0.42 -0.82 1.90 5.08 -1.71 -2.88 114.58 116.76 1wfs h GLU 22 Ca 0.53 -0.12 0.20 0.00 -1.00 0.00 0.00 59.36 58.97 1wfs h GLU 22 Cb 1.04 -0.04 -0.13 0.00 0.50 0.00 0.00 28.75 30.12 1wfs h GLU 22 CO -0.65 0.57 0.20 1.15 -1.00 0.00 0.00 179.01 179.27 1wfs h THR 23 N 0.21 0.41 0.13 1.13 2.02 -0.93 0.18 112.91 116.05 1wfs h THR 23 Ca 0.07 -0.08 -0.01 0.00 0.77 0.00 0.00 66.41 67.16 1wfs h THR 23 Cb 0.36 0.14 0.00 0.00 -1.74 0.00 0.00 68.15 66.92 1wfs h THR 23 CO 0.01 0.04 -0.06 -0.07 0.37 0.00 0.00 175.52 175.81 1wfs h LEU 24 N 0.24 -0.15 -2.33 2.58 3.38 -1.30 0.41 115.31 118.13 1wfs h LEU 24 Ca 0.49 -0.14 0.02 0.00 0.09 0.00 0.00 57.88 58.34 1wfs h LEU 24 Cb 0.91 0.04 -0.00 0.00 0.09 0.00 0.00 40.66 41.70 1wfs h LEU 24 CO -0.59 0.05 0.07 -0.09 0.09 0.00 0.00 178.44 177.97 1wfs h ARG 25 N -0.35 0.00 0.16 1.13 2.43 -0.95 -1.79 114.38 115.02 1wfs h ARG 25 Ca -0.02 0.00 -0.35 0.00 -0.81 0.00 0.00 59.98 58.81 1wfs h ARG 25 Cb 0.28 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.83 1wfs h ARG 25 CO 0.03 0.00 -1.76 0.87 -1.51 0.00 0.00 179.97 177.60 1wfs h LYS 26 N 0.00 0.34 -0.26 0.20 1.79 -0.29 -3.25 116.57 115.10 1wfs h LYS 26 Ca 0.03 -0.58 -0.01 0.00 -2.18 0.00 0.00 60.65 57.91 1wfs h LYS 26 Cb 0.17 0.22 -0.01 0.00 -1.58 0.00 0.00 32.23 31.02 1wfs h LYS 26 CO -0.00 1.25 0.13 0.35 -1.08 0.00 0.00 179.45 180.10 1wfs h PHE 27 N 0.09 0.34 0.00 -1.35 3.57 0.61 1.59 116.94 121.80 1wfs h PHE 27 Ca -0.34 0.00 -0.14 0.00 3.53 0.00 0.00 57.97 61.02 1wfs h PHE 27 Cb 2.08 -0.11 -0.02 0.00 2.79 0.00 0.00 35.95 40.68 1wfs h PHE 27 CO 0.09 0.25 -0.68 0.00 -2.23 0.00 0.00 178.31 175.74 1wfs h ARG 28 N 0.36 0.00 -0.55 1.11 3.08 -1.49 -3.30 114.38 113.59 1wfs h ARG 28 Ca 0.09 0.00 -0.39 0.00 0.07 0.00 0.00 59.98 59.76 1wfs h ARG 28 Cb 0.03 0.00 -0.39 0.00 0.08 0.00 0.00 29.97 29.68 1wfs h ARG 28 CO -0.01 0.68 -0.92 1.19 -1.07 0.00 0.00 179.97 179.83 1wfs n PHE 29 N -3.56 1.91 -1.38 3.04 3.72 -0.55 -5.09 117.46 115.55 1wfs n PHE 29 Ca -0.00 -2.08 -0.29 0.00 -0.05 0.00 0.00 57.45 55.03 1wfs n PHE 29 Cb 0.71 -0.29 0.18 0.00 -0.94 0.00 0.00 39.48 39.14 1wfs n PHE 29 CO 0.00 0.00 0.00 -0.98 -0.05 0.00 0.00 176.76 175.73 1wfs s ARG 30 N -3.51 0.34 -0.57 -1.08 1.70 0.53 -4.92 118.95 111.45 1wfs s ARG 30 Ca 0.41 0.18 -0.00 0.00 -0.47 0.00 0.00 55.73 55.84 1wfs s ARG 30 Cb 0.37 -1.76 0.49 0.00 -0.57 0.00 0.00 34.95 33.48 1wfs s ARG 30 CO -0.01 -2.71 1.99 1.63 -1.08 0.00 0.00 175.30 175.12 1wfs n LYS 31 N -4.10 2.48 -4.35 3.89 4.76 -1.26 -4.95 118.16 114.63 1wfs n LYS 31 Ca 0.09 -3.03 -0.26 0.00 -2.87 0.00 0.00 58.31 52.23 1wfs n LYS 31 Cb 0.59 -2.19 -0.09 0.00 -1.84 0.00 0.00 35.03 31.50 1wfs n LYS 31 CO 0.00 0.00 0.00 -1.21 -1.37 0.00 0.00 177.40 174.82 1wfs s GLU 32 N -3.48 2.11 0.00 1.97 2.02 -1.26 -5.06 118.70 115.00 1wfs s GLU 32 Ca 0.59 -1.95 0.05 0.00 0.02 0.00 0.00 54.97 53.68 1wfs s GLU 32 Cb 0.47 -1.83 0.09 0.00 0.10 0.00 0.00 34.13 32.96 1wfs s GLU 32 CO 0.02 -0.08 0.98 0.25 0.02 0.00 0.00 175.26 176.46 1wfs n THR 33 N -1.11 0.00 -4.32 3.63 -2.24 -1.26 -5.11 114.28 103.87 1wfs n THR 33 Ca -0.03 -0.20 -0.14 0.00 -2.27 0.00 0.00 64.05 61.41 1wfs n THR 33 Cb 0.65 0.55 -0.03 0.00 -2.10 0.00 0.00 70.33 69.40 1wfs n THR 33 CO 0.00 0.00 0.00 -0.46 -0.57 0.00 0.00 175.07 174.04 1wfs n ASN 34 N 0.10 2.44 -4.69 3.42 6.94 -1.26 -5.05 115.26 117.16 1wfs n ASN 34 Ca 0.00 -1.98 -0.39 0.00 -0.02 0.00 0.00 54.58 52.19 1wfs n ASN 34 Cb 0.77 0.19 -0.06 0.00 -2.36 0.00 0.00 39.78 38.32 1wfs n ASN 34 CO 0.00 0.00 0.00 0.20 -1.03 0.00 0.00 177.26 176.43 1wfs s ASN 35 N -2.22 6.66 0.17 0.53 0.01 -1.26 -4.87 114.94 113.96 1wfs s ASN 35 Ca 0.01 0.79 0.02 0.00 -0.71 0.00 0.00 52.86 52.97 1wfs s ASN 35 Cb 0.00 -2.31 -0.05 0.00 0.41 0.00 0.00 41.25 39.30 1wfs s ASN 35 CO 0.01 -0.13 0.00 0.00 -1.51 0.00 0.00 177.10 175.47 1wfs s ALA 36 N 1.28 1.30 0.03 0.60 0.00 -1.18 0.10 121.76 123.90 1wfs s ALA 36 Ca 0.27 -1.57 0.01 0.00 0.00 0.00 0.00 51.96 50.66 1wfs s ALA 36 Cb -0.16 0.55 -0.02 0.00 0.00 0.00 0.00 23.12 23.49 1wfs s ALA 36 CO 0.11 -0.33 -0.05 0.00 0.00 0.00 0.00 175.76 175.49 1wfs s ALA 37 N -3.68 0.31 -0.23 0.00 0.00 0.63 -0.53 121.76 118.26 1wfs s ALA 37 Ca 0.23 -0.61 -0.02 0.00 0.00 0.00 0.00 51.96 51.56 1wfs s ALA 37 Cb 0.06 0.09 0.07 0.00 0.00 0.00 0.00 23.12 23.34 1wfs s ALA 37 CO 0.03 -0.08 0.04 0.42 0.00 0.00 0.00 175.76 176.16 1wfs s ILE 38 N -1.30 0.76 -0.32 0.00 1.01 -0.79 -1.55 121.20 119.02 1wfs s ILE 38 Ca -0.12 -0.86 -0.18 0.00 0.00 0.00 0.00 60.65 59.49 1wfs s ILE 38 Cb -0.09 -1.30 -0.01 0.00 0.01 0.00 0.00 42.46 41.06 1wfs s ILE 38 CO -0.00 -0.30 0.50 -0.63 0.00 0.00 0.00 174.94 174.51 1wfs s ILE 39 N 1.73 5.04 0.13 2.92 1.01 -0.62 -0.89 121.20 130.53 1wfs s ILE 39 Ca 0.01 0.52 0.06 0.00 0.00 0.00 0.00 60.65 61.23 1wfs s ILE 39 Cb -0.17 -3.90 -0.04 0.00 0.01 0.00 0.00 42.46 38.35 1wfs s ILE 39 CO -0.12 -0.10 0.01 -0.04 0.00 0.00 0.00 174.94 174.69 1wfs s MET 40 N 2.35 2.50 0.40 2.79 -1.94 0.46 0.04 119.30 125.89 1wfs s MET 40 Ca 0.19 -0.96 0.04 0.00 -1.71 0.00 0.00 55.69 53.25 1wfs s MET 40 Cb -0.15 -2.46 -0.03 0.00 2.01 0.00 0.00 34.83 34.19 1wfs s MET 40 CO 0.12 0.50 0.12 -1.59 -0.01 0.00 0.00 175.02 174.16 1wfs s LYS 41 N -2.62 1.91 -0.19 2.03 -2.85 0.05 -1.15 119.74 116.92 1wfs s LYS 41 Ca 0.27 -2.16 -0.01 0.00 -1.00 0.00 0.00 55.97 53.07 1wfs s LYS 41 Cb -0.11 -0.66 0.05 0.00 -2.06 0.00 0.00 37.83 35.06 1wfs s LYS 41 CO 0.19 -0.45 -0.04 0.54 0.10 0.00 0.00 175.35 175.69 1wfs s VAL 42 N -3.21 1.13 -0.44 1.79 0.11 -1.26 1.00 120.40 119.51 1wfs s VAL 42 Ca 0.24 -0.78 -0.29 0.00 -2.93 0.00 0.00 61.98 58.23 1wfs s VAL 42 Cb 0.03 -1.38 0.02 0.00 -1.53 0.00 0.00 36.38 33.52 1wfs s VAL 42 CO 0.14 0.01 1.30 -1.81 -3.33 0.00 0.00 175.10 171.42 1wfs s ASP 43 N 1.61 6.45 0.59 3.54 1.01 -0.41 -4.87 116.67 124.59 1wfs s ASP 43 Ca -0.01 0.67 0.29 0.00 0.71 0.00 0.00 52.55 54.21 1wfs s ASP 43 Cb -0.17 -2.54 1.68 0.00 1.01 0.00 0.00 42.92 42.90 1wfs s ASP 43 CO -0.07 -1.37 2.12 0.50 0.21 0.00 0.00 175.17 176.56 1wfs h LYS 44 N 10.12 0.00 -0.35 8.23 3.64 -1.96 1.17 116.57 137.42 1wfs h LYS 44 Ca -0.26 0.00 -0.12 0.00 -1.27 0.00 0.00 60.65 59.00 1wfs h LYS 44 Cb 1.09 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.90 1wfs h LYS 44 CO 1.11 0.00 -0.25 -0.44 -2.27 0.00 0.00 179.45 177.59 1wfs h ASP 45 N 0.00 0.82 -0.45 4.20 5.19 -1.97 -3.17 116.42 121.05 1wfs h ASP 45 Ca 0.08 -0.44 0.00 0.00 -0.62 0.00 0.00 57.03 56.05 1wfs h ASP 45 Cb 0.44 -0.23 0.00 0.00 0.18 0.00 0.00 39.33 39.72 1wfs h ASP 45 CO -0.00 1.09 0.00 0.54 -3.12 0.00 0.00 179.24 177.75 1wfs n ARG 46 N -4.23 2.67 -3.85 3.56 1.74 -0.38 -4.98 116.66 111.18 1wfs n ARG 46 Ca -0.03 -2.21 -0.25 0.00 -0.77 0.00 0.00 57.85 54.59 1wfs n ARG 46 Cb 0.46 -1.38 -0.05 0.00 -1.02 0.00 0.00 32.46 30.46 1wfs n ARG 46 CO 0.00 0.00 0.00 1.04 -1.52 0.00 0.00 177.63 177.15 1wfs n GLN 47 N 0.95 -0.85 -3.84 5.56 1.13 0.39 -4.87 117.38 115.86 1wfs n GLN 47 Ca 0.16 0.03 -0.11 0.00 -1.94 0.00 0.00 57.00 55.13 1wfs n GLN 47 Cb 0.49 -2.36 -0.09 0.00 0.11 0.00 0.00 30.24 28.39 1wfs n GLN 47 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1wfs s MET 48 N -6.31 0.61 -0.41 -1.09 0.23 -1.17 -2.61 119.30 108.55 1wfs s MET 48 Ca 0.08 -0.44 -0.26 0.00 -1.03 0.00 0.00 55.69 54.04 1wfs s MET 48 Cb -0.04 0.26 0.02 0.00 -1.53 0.00 0.00 34.83 33.53 1wfs s MET 48 CO 0.72 -0.16 0.92 0.08 -2.03 0.00 0.00 175.02 174.55 1wfs s VAL 49 N -1.83 4.53 -0.04 5.16 1.01 0.67 -1.29 120.40 128.61 1wfs s VAL 49 Ca -0.11 0.98 0.07 0.00 0.00 0.00 0.00 61.98 62.92 1wfs s VAL 49 Cb -0.05 -4.38 -0.02 0.00 0.00 0.00 0.00 36.38 31.94 1wfs s VAL 49 CO 0.00 -0.68 -0.24 0.68 0.00 0.00 0.00 175.10 174.86 1wfs s VAL 50 N 3.61 2.17 0.26 2.92 -7.23 0.28 -1.81 120.40 120.60 1wfs s VAL 50 Ca 0.38 -1.05 -0.28 0.00 -1.81 0.00 0.00 61.98 59.22 1wfs s VAL 50 Cb -0.11 -1.78 -0.15 0.00 0.56 0.00 0.00 36.38 34.90 1wfs s VAL 50 CO 0.22 0.58 0.82 -0.11 -0.31 0.00 0.00 175.10 176.30 1wfs n LEU 51 N 2.63 0.64 -0.07 1.32 0.00 -1.26 -0.77 117.00 119.48 1wfs n LEU 51 Ca -0.17 1.16 -0.11 0.00 0.00 0.00 0.00 56.01 56.89 1wfs n LEU 51 Cb 0.51 -1.16 -0.06 0.00 0.00 0.00 0.00 43.42 42.71 1wfs n LEU 51 CO 0.24 -2.00 -0.98 1.21 0.00 0.00 0.00 177.39 175.86 1wfs n GLU 52 N 0.82 0.36 -3.64 1.96 2.13 0.11 -4.64 120.64 117.73 1wfs n GLU 52 Ca 0.13 0.09 -0.08 0.00 0.66 0.00 0.00 57.16 57.96 1wfs n GLU 52 Cb 0.29 -1.25 -0.02 0.00 0.27 0.00 0.00 31.44 30.73 1wfs n GLU 52 CO 0.00 0.00 0.00 -0.51 -0.41 0.00 0.00 177.13 176.21 1wfs s ASP 53 N -5.55 -0.37 -0.20 4.31 1.01 0.21 -5.01 116.67 111.07 1wfs s ASP 53 Ca -0.20 -0.28 -0.04 0.00 0.71 0.00 0.00 52.55 52.74 1wfs s ASP 53 Cb 0.06 0.60 0.10 0.00 1.01 0.00 0.00 42.92 44.69 1wfs s ASP 53 CO 0.32 -1.05 0.33 -1.61 0.21 0.00 0.00 175.17 173.37 1wfs s GLU 54 N -3.65 0.27 -0.11 8.23 2.02 -1.26 -1.59 118.70 122.61 1wfs s GLU 54 Ca 0.07 0.58 0.01 0.00 0.02 0.00 0.00 54.97 55.65 1wfs s GLU 54 Cb -0.03 -0.43 -0.02 0.00 0.10 0.00 0.00 34.13 33.75 1wfs s GLU 54 CO -0.03 -0.51 -0.14 -0.51 0.02 0.00 0.00 175.26 174.09 1wfs s LEU 55 N 2.48 2.71 0.29 1.80 1.43 -0.60 -5.01 118.68 121.78 1wfs s LEU 55 Ca 0.07 -0.30 0.08 0.00 -1.03 0.00 0.00 54.13 52.94 1wfs s LEU 55 Cb -0.14 -1.59 -0.03 0.00 0.03 0.00 0.00 46.19 44.45 1wfs s LEU 55 CO -0.13 0.20 0.19 -1.10 0.23 0.00 0.00 176.35 175.74 1wfs s GLN 56 N 0.12 2.70 -1.22 1.70 1.11 -1.26 -0.27 119.66 122.53 1wfs s GLN 56 Ca -0.06 -1.25 -0.30 0.00 0.01 0.00 0.00 55.36 53.76 1wfs s GLN 56 Cb -0.15 -2.43 0.03 0.00 -1.01 0.00 0.00 33.01 29.46 1wfs s GLN 56 CO 0.05 0.26 0.67 0.27 0.01 0.00 0.00 175.29 176.55 1wfs n ASN 57 N -1.19 -4.03 -4.13 5.90 0.23 0.56 -4.91 115.26 107.69 1wfs n ASN 57 Ca -0.05 -1.24 -0.23 0.00 -0.53 0.00 0.00 54.58 52.53 1wfs n ASN 57 Cb 0.59 -2.05 -0.15 0.00 -2.08 0.00 0.00 39.78 36.09 1wfs n ASN 57 CO 0.00 0.00 0.00 -0.51 -0.93 0.00 0.00 177.26 175.82 1wfs s ILE 58 N -3.57 1.22 0.78 1.53 -1.16 0.11 -4.95 121.20 115.16 1wfs s ILE 58 Ca 0.46 -0.65 -0.11 0.00 -0.51 0.00 0.00 60.65 59.84 1wfs s ILE 58 Cb -0.23 -1.02 0.08 0.00 0.61 0.00 0.00 42.46 41.90 1wfs s ILE 58 CO 0.95 0.35 1.14 -0.44 -2.81 0.00 0.00 174.94 174.13 1wfs s SER 59 N -0.31 4.58 0.00 4.50 0.01 -1.26 -4.42 113.70 116.80 1wfs s SER 59 Ca 0.05 0.71 0.15 0.00 1.31 0.00 0.00 55.95 58.17 1wfs s SER 59 Cb -0.06 -1.23 0.87 0.00 0.21 0.00 0.00 66.02 65.80 1wfs s SER 59 CO -0.00 -1.83 1.36 -0.81 0.41 0.00 0.00 173.24 172.37 1wfs n PRO 60 N -3.23 0.40 -0.05 12.44 -0.04 -1.26 -2.18 135.00 141.08 1wfs n PRO 60 Ca 0.08 0.05 0.00 0.00 -0.04 0.00 0.00 63.50 63.59 1wfs n PRO 60 Cb 0.61 -1.50 -0.16 0.00 -0.04 0.00 0.00 33.50 32.41 1wfs n PRO 60 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 1wfs n GLU 61 N -1.09 0.75 0.08 0.54 1.02 -1.26 -4.23 120.64 116.45 1wfs n GLU 61 Ca 0.10 -0.10 -0.22 0.00 -0.02 0.00 0.00 57.16 56.93 1wfs n GLU 61 Cb 0.07 -1.49 -0.15 0.00 -0.02 0.00 0.00 31.44 29.85 1wfs n GLU 61 CO 0.00 0.00 0.00 0.93 1.18 0.00 0.00 177.13 179.24 1wfs h GLU 62 N 0.00 0.39 -0.11 3.49 4.39 -1.81 -3.25 114.58 117.68 1wfs h GLU 62 Ca -0.26 -0.65 0.04 0.00 0.34 0.00 0.00 59.36 58.83 1wfs h GLU 62 Cb 1.57 0.24 -0.05 0.00 -0.10 0.00 0.00 28.75 30.40 1wfs h GLU 62 CO 0.01 1.31 -0.22 1.25 -1.16 0.00 0.00 179.01 180.20 1wfs h LEU 63 N -0.18 -0.69 -1.17 1.33 6.46 -1.76 -0.44 115.31 118.86 1wfs h LEU 63 Ca -0.18 0.11 0.16 0.00 -0.12 0.00 0.00 57.88 57.86 1wfs h LEU 63 Cb 1.80 0.31 -0.08 0.00 -0.73 0.00 0.00 40.66 41.96 1wfs h LEU 63 CO 0.19 -0.28 0.60 0.50 -0.62 0.00 0.00 178.44 178.84 1wfs h LYS 64 N -0.29 0.72 -0.33 1.25 3.64 -1.74 0.89 116.57 120.71 1wfs h LYS 64 Ca 0.09 -0.04 -0.12 0.00 -1.27 0.00 0.00 60.65 59.31 1wfs h LYS 64 Cb 0.43 -0.16 -0.01 0.00 -0.41 0.00 0.00 32.23 32.08 1wfs h LYS 64 CO -0.28 0.48 -0.27 -0.07 -2.27 0.00 0.00 179.45 177.03 1wfs h LEU 65 N 0.74 0.69 -0.70 5.20 4.07 -1.25 -2.92 115.31 121.15 1wfs h LEU 65 Ca 0.50 -0.26 -0.14 0.00 0.08 0.00 0.00 57.88 58.06 1wfs h LEU 65 Cb 0.79 -0.19 -0.01 0.00 1.08 0.00 0.00 40.66 42.32 1wfs h LEU 65 CO -0.27 0.93 -0.60 -0.33 -1.08 0.00 0.00 178.44 177.10 1wfs h GLU 66 N 0.58 0.17 -7.15 1.13 4.39 0.63 -3.45 114.58 110.89 1wfs h GLU 66 Ca 0.08 -0.12 -0.51 0.00 0.34 0.00 0.00 59.36 59.15 1wfs h GLU 66 Cb 0.77 0.02 0.10 0.00 -0.10 0.00 0.00 28.75 29.53 1wfs h GLU 66 CO 0.06 0.72 0.40 -0.51 -1.16 0.00 0.00 179.01 178.52 1wfs s LEU 67 N -7.86 3.54 0.00 1.33 1.43 -0.01 -5.04 118.68 112.07 1wfs s LEU 67 Ca -0.03 2.12 -0.10 0.00 -1.03 0.00 0.00 54.13 55.09 1wfs s LEU 67 Cb 0.12 -4.57 0.15 0.00 0.03 0.00 0.00 46.19 41.92 1wfs s LEU 67 CO 0.79 -1.52 0.54 -0.81 0.23 0.00 0.00 176.35 175.57 1wfs n PRO 68 N -1.96 -2.07 -0.06 1.29 -0.04 -1.26 -4.97 135.00 125.93 1wfs n PRO 68 Ca 0.11 -0.86 -0.07 0.00 -0.04 0.00 0.00 63.50 62.65 1wfs n PRO 68 Cb 0.51 -0.80 -0.09 0.00 -0.04 0.00 0.00 33.50 33.07 1wfs n PRO 68 CO 0.00 0.00 0.00 -0.85 -0.04 0.00 0.00 175.50 174.61 1wfs n GLU 69 N -3.15 1.71 -2.78 0.54 0.00 -1.26 -4.76 120.64 110.95 1wfs n GLU 69 Ca 0.07 0.01 -0.11 0.00 0.00 0.00 0.00 57.16 57.14 1wfs n GLU 69 Cb 0.29 -1.32 0.03 0.00 0.00 0.00 0.00 31.44 30.44 1wfs n GLU 69 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.13 177.67 1wfs n ARG 70 N -2.54 1.11 -3.58 3.44 5.12 -1.26 -4.73 116.66 114.21 1wfs n ARG 70 Ca -0.22 -3.11 -0.21 0.00 -1.93 0.00 0.00 57.85 52.38 1wfs n ARG 70 Cb 0.89 -1.23 -0.15 0.00 -1.16 0.00 0.00 32.46 30.81 1wfs n ARG 70 CO 0.00 0.00 0.00 -0.65 -1.93 0.00 0.00 177.63 175.05 1wfs s GLN 71 N -2.58 0.10 0.26 5.56 -0.21 -1.26 -4.54 119.66 116.97 1wfs s GLN 71 Ca 0.29 0.17 -0.30 0.00 0.02 0.00 0.00 55.36 55.54 1wfs s GLN 71 Cb 0.43 -1.24 -0.09 0.00 1.00 0.00 0.00 33.01 33.10 1wfs s GLN 71 CO 0.00 -0.58 1.26 -1.25 -2.12 0.00 0.00 175.29 172.60 1wfs s PRO 72 N 2.24 4.43 0.11 2.91 0.04 -1.26 -4.75 135.00 138.72 1wfs s PRO 72 Ca 0.04 2.05 -0.26 0.00 0.04 0.00 0.00 61.00 62.87 1wfs s PRO 72 Cb -0.15 -3.16 0.08 0.00 0.04 0.00 0.00 34.50 31.31 1wfs s PRO 72 CO -0.09 -0.13 1.05 -0.98 0.04 0.00 0.00 177.00 176.89 1wfs s ARG 73 N -0.92 0.98 0.11 4.56 1.70 -0.34 -4.95 118.95 120.08 1wfs s ARG 73 Ca 0.52 -0.54 -0.02 0.00 -0.47 0.00 0.00 55.73 55.21 1wfs s ARG 73 Cb -0.36 0.33 -0.05 0.00 -0.57 0.00 0.00 34.95 34.30 1wfs s ARG 73 CO 0.43 -0.45 0.30 -0.06 -1.08 0.00 0.00 175.30 174.44 1wfs s PHE 74 N -3.03 3.50 -0.21 5.89 0.08 -0.30 -1.47 117.98 122.44 1wfs s PHE 74 Ca 0.13 0.39 -0.09 0.00 0.12 0.00 0.00 56.93 57.48 1wfs s PHE 74 Cb 0.00 -1.87 0.08 0.00 -0.57 0.00 0.00 43.02 40.67 1wfs s PHE 74 CO 0.01 0.50 0.46 0.08 -0.10 0.00 0.00 175.22 176.17 1wfs s VAL 75 N -1.61 -0.41 -0.46 -0.44 1.01 -0.27 -0.40 120.40 117.82 1wfs s VAL 75 Ca 0.38 0.11 -0.06 0.00 0.00 0.00 0.00 61.98 62.41 1wfs s VAL 75 Cb -0.12 -0.71 0.12 0.00 0.00 0.00 0.00 36.38 35.67 1wfs s VAL 75 CO 0.27 0.05 0.30 -0.69 0.00 0.00 0.00 175.10 175.02 1wfs s VAL 76 N 2.14 3.81 -0.06 2.92 1.01 -0.07 0.93 120.40 131.09 1wfs s VAL 76 Ca -0.05 -1.97 -0.17 0.00 0.00 0.00 0.00 61.98 59.78 1wfs s VAL 76 Cb -0.10 -3.55 -0.05 0.00 0.00 0.00 0.00 36.38 32.68 1wfs s VAL 76 CO -0.14 -0.75 0.47 -0.47 0.00 0.00 0.00 175.10 174.21 1wfs s TYR 77 N 1.18 3.61 -0.44 5.22 5.04 -1.07 -1.88 117.35 129.00 1wfs s TYR 77 Ca 0.08 0.97 -0.01 0.00 -2.44 0.00 0.00 57.07 55.67 1wfs s TYR 77 Cb -0.24 -2.48 0.12 0.00 0.35 0.00 0.00 41.96 39.71 1wfs s TYR 77 CO -0.02 0.35 0.21 0.45 -1.34 0.00 0.00 175.55 175.20 1wfs s SER 78 N -0.06 5.06 0.67 4.32 0.15 0.31 -2.17 113.70 121.99 1wfs s SER 78 Ca 0.26 -2.29 -0.06 0.00 0.70 0.00 0.00 55.95 54.56 1wfs s SER 78 Cb -0.16 -1.77 0.05 0.00 -1.71 0.00 0.00 66.02 62.42 1wfs s SER 78 CO 0.12 -0.45 0.98 -0.47 1.20 0.00 0.00 173.24 174.62 1wfs s TYR 79 N 0.76 2.99 -0.29 3.44 5.04 -1.25 -3.08 117.35 124.96 1wfs s TYR 79 Ca 0.11 0.48 0.03 0.00 -2.44 0.00 0.00 57.07 55.25 1wfs s TYR 79 Cb -0.22 -3.08 0.08 0.00 0.35 0.00 0.00 41.96 39.09 1wfs s TYR 79 CO -0.05 -1.26 -0.03 0.21 -1.34 0.00 0.00 175.55 173.09 1wfs s LYS 80 N -5.17 1.80 -0.18 4.97 2.20 -1.26 -2.64 119.74 119.46 1wfs s LYS 80 Ca 0.59 -1.51 -0.08 0.00 -0.36 0.00 0.00 55.97 54.60 1wfs s LYS 80 Cb -0.11 -2.95 -0.04 0.00 -1.51 0.00 0.00 37.83 33.22 1wfs s LYS 80 CO 0.45 -0.74 0.10 -0.47 -0.36 0.00 0.00 175.35 174.33 1wfs s TYR 81 N 1.07 3.37 0.45 4.03 6.14 0.17 -4.95 117.35 127.63 1wfs s TYR 81 Ca 0.00 0.26 -0.01 0.00 0.64 0.00 0.00 57.07 57.96 1wfs s TYR 81 Cb -0.19 -2.09 -0.01 0.00 0.42 0.00 0.00 41.96 40.08 1wfs s TYR 81 CO -0.07 0.30 0.68 0.08 0.64 0.00 0.00 175.55 177.18 1wfs s VAL 82 N 0.16 4.30 0.00 3.14 1.01 -1.26 -0.52 120.40 127.23 1wfs s VAL 82 Ca 0.07 -0.35 0.00 0.00 0.00 0.00 0.00 61.98 61.70 1wfs s VAL 82 Cb -0.12 -3.60 0.00 0.00 0.00 0.00 0.00 36.38 32.66 1wfs s VAL 82 CO -0.00 -0.46 0.00 1.41 0.00 0.00 0.00 175.10 176.05 1wfs n HIS 83 N -2.10 0.00 0.06 5.22 8.25 0.27 -4.90 115.22 122.02 1wfs n HIS 83 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 1wfs n HIS 83 Cb 0.57 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.68 1wfs n HIS 83 CO 0.00 0.00 0.00 -3.47 0.64 0.00 0.00 176.34 173.51 1wfs n ASP 84 N 0.00 -1.06 0.16 0.41 -0.08 -1.26 -4.93 116.55 109.79 1wfs n ASP 84 Ca 0.00 0.59 0.09 0.00 -1.51 0.00 0.00 54.79 53.96 1wfs n ASP 84 Cb 0.00 1.35 0.46 0.00 2.34 0.00 0.00 41.12 45.27 1wfs n ASP 84 CO 0.00 0.00 0.00 -0.67 0.12 0.00 0.00 177.20 176.65 1wfs n ASP 85 N -3.09 0.43 0.00 1.67 2.03 -1.26 -4.64 116.55 111.69 1wfs n ASP 85 Ca 0.00 0.65 0.00 0.00 0.52 0.00 0.00 54.79 55.96 1wfs n ASP 85 Cb 0.00 -0.66 0.00 0.00 -0.72 0.00 0.00 41.12 39.74 1wfs n ASP 85 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1wfs n GLY 86 N -1.29 0.84 3.79 0.27 0.00 -1.26 -5.14 105.19 102.40 1wfs n GLY 86 Ca -0.01 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.66 1wfs n GLY 86 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1wfs s ARG 87 N 0.00 3.17 -0.03 1.61 1.81 -1.26 -4.98 118.95 119.26 1wfs s ARG 87 Ca 0.00 -0.35 -0.01 0.00 -1.72 0.00 0.00 55.73 53.65 1wfs s ARG 87 Cb 0.00 -2.95 0.03 0.00 -0.45 0.00 0.00 34.95 31.58 1wfs s ARG 87 CO 0.00 0.70 0.07 0.54 -0.68 0.00 0.00 175.30 175.93 1wfs s VAL 88 N -1.07 -0.05 0.34 3.52 0.11 -1.26 0.96 120.40 122.95 1wfs s VAL 88 Ca 0.18 0.18 0.06 0.00 -2.93 0.00 0.00 61.98 59.47 1wfs s VAL 88 Cb -0.12 -0.13 -0.07 0.00 -1.53 0.00 0.00 36.38 34.54 1wfs s VAL 88 CO 0.08 0.07 -0.01 -0.44 -3.33 0.00 0.00 175.10 171.47 1wfs s SER 89 N 0.96 3.12 -0.48 3.54 0.01 0.32 -4.97 113.70 116.20 1wfs s SER 89 Ca -0.08 -1.29 0.00 0.00 1.31 0.00 0.00 55.95 55.89 1wfs s SER 89 Cb -0.11 -0.24 0.13 0.00 0.21 0.00 0.00 66.02 66.01 1wfs s SER 89 CO -0.03 -0.42 0.24 -0.31 0.41 0.00 0.00 173.24 173.13 1wfs s TYR 90 N -2.94 3.49 -0.71 2.43 2.02 -1.26 0.46 117.35 120.83 1wfs s TYR 90 Ca 0.33 -2.80 -0.26 0.00 -0.37 0.00 0.00 57.07 53.97 1wfs s TYR 90 Cb 0.07 -3.06 -0.03 0.00 -0.40 0.00 0.00 41.96 38.53 1wfs s TYR 90 CO 0.15 -0.88 1.89 -1.25 -1.57 0.00 0.00 175.55 173.89 1wfs s PRO 91 N 0.44 2.60 -0.06 -1.71 0.04 -1.08 -4.81 135.00 130.42 1wfs s PRO 91 Ca 0.13 0.30 -0.30 0.00 0.04 0.00 0.00 61.00 61.17 1wfs s PRO 91 Cb -0.22 -4.62 -0.04 0.00 0.04 0.00 0.00 34.50 29.66 1wfs s PRO 91 CO -0.04 -2.96 1.32 -0.51 0.04 0.00 0.00 177.00 174.84 1wfs s LEU 92 N 9.44 4.27 0.18 -3.56 1.02 -1.26 -3.84 118.68 124.94 1wfs s LEU 92 Ca 0.68 1.92 0.09 0.00 0.02 0.00 0.00 54.13 56.85 1wfs s LEU 92 Cb -0.11 -3.55 -0.04 0.00 0.02 0.00 0.00 46.19 42.51 1wfs s LEU 92 CO 0.13 -0.69 -0.20 0.00 0.02 0.00 0.00 176.35 175.61 1wfs s PHE 94 N -2.01 3.19 -0.42 0.00 5.36 -0.20 -2.60 117.98 121.29 1wfs s PHE 94 Ca 0.18 -0.88 -0.20 0.00 -0.96 0.00 0.00 56.93 55.07 1wfs s PHE 94 Cb -0.06 -3.37 0.02 0.00 -0.34 0.00 0.00 43.02 39.27 1wfs s PHE 94 CO 0.08 -0.90 0.58 0.42 -1.46 0.00 0.00 175.22 173.93 1wfs s ILE 95 N 1.91 4.92 -0.50 3.12 1.01 0.26 -1.15 121.20 130.77 1wfs s ILE 95 Ca 0.07 0.01 -0.21 0.00 0.00 0.00 0.00 60.65 60.52 1wfs s ILE 95 Cb -0.24 -4.14 0.04 0.00 0.01 0.00 0.00 42.46 38.14 1wfs s ILE 95 CO 0.07 -0.51 0.71 0.12 0.00 0.00 0.00 174.94 175.33 1wfs s PHE 96 N 2.59 2.99 -0.92 3.97 5.36 -0.74 -1.12 117.98 130.12 1wfs s PHE 96 Ca 0.19 -0.26 -0.24 0.00 -0.96 0.00 0.00 56.93 55.66 1wfs s PHE 96 Cb -0.15 -3.62 0.03 0.00 -0.34 0.00 0.00 43.02 38.95 1wfs s PHE 96 CO 0.17 -1.06 1.46 0.45 -1.46 0.00 0.00 175.22 174.77 1wfs s SER 97 N 2.52 6.26 -0.33 6.13 0.15 -0.54 -2.54 113.70 125.34 1wfs s SER 97 Ca 0.21 -1.05 0.01 0.00 0.70 0.00 0.00 55.95 55.82 1wfs s SER 97 Cb -0.16 -2.57 0.10 0.00 -1.71 0.00 0.00 66.02 61.69 1wfs s SER 97 CO 0.16 -1.73 0.09 -0.55 1.20 0.00 0.00 173.24 172.41 1wfs s SER 98 N 4.98 4.25 0.32 5.45 0.15 -1.14 -1.20 113.70 126.51 1wfs s SER 98 Ca 0.46 -1.87 0.00 0.00 0.70 0.00 0.00 55.95 55.24 1wfs s SER 98 Cb -0.03 -1.13 0.00 0.00 -1.71 0.00 0.00 66.02 63.15 1wfs s SER 98 CO -0.01 -0.39 0.00 -0.81 1.20 0.00 0.00 173.24 173.22 1wfs n PRO 99 N 4.57 0.35 0.00 5.44 -0.04 -1.25 -4.04 135.00 140.04 1wfs n PRO 99 Ca 0.01 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.47 1wfs n PRO 99 Cb 0.42 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.88 1wfs n PRO 99 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 1wfs n VAL 100 N -1.15 0.00 1.46 0.52 0.31 -1.24 -4.66 118.33 113.58 1wfs n VAL 100 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 1wfs n VAL 100 Cb 0.00 -0.66 0.00 0.00 -0.91 0.00 0.00 33.84 32.27 1wfs n VAL 100 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1wfs n GLY 101 N 3.19 -0.19 3.62 2.92 0.00 -1.26 -4.82 105.19 108.66 1wfs n GLY 101 Ca 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.77 1wfs n GLY 101 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wfs s LYS 103 N -5.43 3.47 0.55 0.00 1.02 -1.26 -5.00 119.74 113.09 1wfs s LYS 103 Ca 0.67 -0.30 0.34 0.00 0.02 0.00 0.00 55.97 56.70 1wfs s LYS 103 Cb -0.02 -3.06 1.41 0.00 -0.52 0.00 0.00 37.83 35.64 1wfs s LYS 103 CO 0.46 0.64 2.00 -1.00 -0.92 0.00 0.00 175.35 176.53 1wfs h PRO 104 N 3.57 0.00 -0.21 -1.68 0.13 -1.98 -2.06 132.00 129.77 1wfs h PRO 104 Ca -0.48 0.00 -0.14 0.00 -0.87 0.00 0.00 66.00 64.51 1wfs h PRO 104 Cb 1.18 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.30 1wfs h PRO 104 CO 0.71 0.00 -0.46 0.93 -0.23 0.00 0.00 178.00 178.94 1wfs h GLU 105 N 0.00 0.54 0.00 0.86 4.39 -2.01 -3.12 114.58 115.25 1wfs h GLU 105 Ca 0.00 -0.30 -0.01 0.00 0.34 0.00 0.00 59.36 59.39 1wfs h GLU 105 Cb 0.48 0.02 -0.00 0.00 -0.10 0.00 0.00 28.75 29.15 1wfs h GLU 105 CO 0.00 0.89 -0.45 1.96 -1.16 0.00 0.00 179.01 180.25 1wfs h GLN 106 N 0.43 0.00 -0.76 2.33 1.08 -1.94 -3.33 115.11 112.92 1wfs h GLN 106 Ca 0.03 0.00 0.26 0.00 -1.45 0.00 0.00 58.65 57.49 1wfs h GLN 106 Cb 0.98 0.00 -0.14 0.00 -0.05 0.00 0.00 27.48 28.27 1wfs h GLN 106 CO 0.09 0.03 0.20 0.94 -0.95 0.00 0.00 178.83 179.14 1wfs n GLN 107 N -4.64 -0.05 -0.11 1.46 0.00 -0.79 0.22 117.38 113.47 1wfs n GLN 107 Ca -0.07 1.10 -0.09 0.00 -0.00 0.00 0.00 57.00 57.94 1wfs n GLN 107 Cb 0.24 -1.85 -0.02 0.00 0.00 0.00 0.00 30.24 28.61 1wfs n GLN 107 CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 177.06 177.58 1wfs h MET 108 N 0.00 0.51 -1.14 3.69 2.86 -1.72 0.36 114.93 119.48 1wfs h MET 108 Ca 0.55 -0.08 0.32 0.00 -2.06 0.00 0.00 59.70 58.43 1wfs h MET 108 Cb 1.31 -0.09 -0.09 0.00 0.06 0.00 0.00 31.60 32.79 1wfs h MET 108 CO -0.66 0.48 0.76 0.52 1.06 0.00 0.00 176.91 179.07 1wfs h MET 109 N 0.41 0.24 0.05 1.72 2.86 0.26 0.34 114.93 120.81 1wfs h MET 109 Ca 0.12 -0.01 -0.36 0.00 -2.06 0.00 0.00 59.70 57.39 1wfs h MET 109 Cb 0.16 -0.05 -0.04 0.00 0.06 0.00 0.00 31.60 31.72 1wfs h MET 109 CO -0.01 0.16 -2.10 0.66 1.06 0.00 0.00 176.91 176.67 1wfs n TYR 110 N -4.55 0.73 0.28 -0.22 4.02 -0.97 -3.30 117.16 113.17 1wfs n TYR 110 Ca 0.28 0.19 0.15 0.00 -0.01 0.00 0.00 57.90 58.51 1wfs n TYR 110 Cb 1.09 -1.11 0.85 0.00 -0.02 0.00 0.00 39.34 40.15 1wfs n TYR 110 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1wfs h ALA 111 N 0.39 1.32 0.00 -0.72 0.00 0.15 0.58 119.26 120.98 1wfs h ALA 111 Ca -0.45 -0.05 -0.18 0.00 0.00 0.00 0.00 54.91 54.23 1wfs h ALA 111 Cb 2.03 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 19.78 1wfs h ALA 111 CO 0.04 0.08 -1.83 0.41 0.00 0.00 0.00 179.25 177.94 1wfs n GLY 112 N -0.92 -1.10 0.76 0.00 0.00 0.10 -4.17 105.19 99.86 1wfs n GLY 112 Ca -0.02 -0.29 0.12 0.00 0.00 0.00 0.00 46.02 45.83 1wfs n GLY 112 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1wfs n SER 113 N -2.68 2.56 0.05 1.61 7.64 -0.92 -4.54 113.62 117.33 1wfs n SER 113 Ca -0.15 -1.78 -0.04 0.00 1.01 0.00 0.00 58.87 57.91 1wfs n SER 113 Cb 0.85 0.19 -0.02 0.00 -1.01 0.00 0.00 64.21 64.22 1wfs n SER 113 CO 0.00 0.00 0.00 0.50 -3.01 0.00 0.00 175.04 172.53 1wfs h LYS 114 N 3.72 -0.19 -0.88 1.43 3.64 -0.01 0.16 116.57 124.43 1wfs h LYS 114 Ca 0.00 0.01 0.21 0.00 -1.27 0.00 0.00 60.65 59.61 1wfs h LYS 114 Cb 0.89 0.04 -0.12 0.00 -0.41 0.00 0.00 32.23 32.63 1wfs h LYS 114 CO 0.00 -0.13 0.36 -0.91 -2.27 0.00 0.00 179.45 176.50 1wfs h ASN 115 N -0.20 0.28 0.05 4.20 2.35 -1.85 0.23 115.58 120.64 1wfs h ASN 115 Ca -0.01 0.16 0.01 0.00 -0.55 0.00 0.00 56.30 55.90 1wfs h ASN 115 Cb 0.18 0.15 -0.01 0.00 0.05 0.00 0.00 38.32 38.69 1wfs h ASN 115 CO -0.03 -0.01 -0.08 -0.09 -1.65 0.00 0.00 177.43 175.56 1wfs h ARG 116 N 0.38 -0.16 0.36 0.81 9.65 -1.72 0.22 114.38 123.91 1wfs h ARG 116 Ca 0.54 0.01 -0.02 0.00 -1.10 0.00 0.00 59.98 59.42 1wfs h ARG 116 Cb 1.02 0.04 0.00 0.00 -1.39 0.00 0.00 29.97 29.64 1wfs h ARG 116 CO -0.53 -0.11 -0.17 1.25 2.80 0.00 0.00 179.97 183.21 1wfs h LEU 117 N -0.17 -0.41 -0.09 3.80 7.12 0.11 -2.50 115.31 123.17 1wfs h LEU 117 Ca 0.02 -0.09 0.04 0.00 0.13 0.00 0.00 57.88 57.98 1wfs h LEU 117 Cb 0.18 0.10 -0.05 0.00 -0.53 0.00 0.00 40.66 40.37 1wfs h LEU 117 CO -0.05 -0.15 -0.26 0.58 -0.13 0.00 0.00 178.44 178.42 1wfs h VAL 118 N -0.66 0.39 -0.99 1.05 2.07 -0.57 -0.94 116.25 116.60 1wfs h VAL 118 Ca -0.05 0.00 0.23 0.00 0.82 0.00 0.00 66.70 67.70 1wfs h VAL 118 Cb 0.47 0.39 -0.09 0.00 -1.52 0.00 0.00 31.29 30.54 1wfs h VAL 118 CO 0.08 0.00 0.63 1.56 0.02 0.00 0.00 177.57 179.86 1wfs h GLN 119 N -0.35 0.52 -0.49 1.57 4.20 -0.56 0.24 115.11 120.23 1wfs h GLN 119 Ca 0.09 -0.03 -0.05 0.00 0.06 0.00 0.00 58.65 58.72 1wfs h GLN 119 Cb 0.48 -0.12 -0.02 0.00 0.30 0.00 0.00 27.48 28.13 1wfs h GLN 119 CO -0.29 0.34 0.13 1.15 -0.67 0.00 0.00 178.83 179.49 1wfs h THR 120 N 0.53 1.24 0.00 -0.54 2.02 -0.72 -2.73 112.91 112.71 1wfs h THR 120 Ca 0.56 -0.82 -0.09 0.00 0.77 0.00 0.00 66.41 66.84 1wfs h THR 120 Cb 1.21 0.83 -0.01 0.00 -1.74 0.00 0.00 68.15 68.44 1wfs h THR 120 CO -0.31 0.30 -0.41 0.00 0.37 0.00 0.00 175.52 175.47 1wfs h ALA 121 N 1.00 0.89 -3.46 6.16 0.00 -0.27 -3.45 119.26 120.12 1wfs h ALA 121 Ca 0.16 -0.37 -0.07 0.00 0.00 0.00 0.00 54.91 54.62 1wfs h ALA 121 Cb 0.31 -0.07 0.05 0.00 0.00 0.00 0.00 17.79 18.09 1wfs h ALA 121 CO -0.00 0.51 -0.22 -1.91 0.00 0.00 0.00 179.25 177.63 1wfs n GLU 122 N -3.43 -0.91 -3.76 0.00 4.07 0.61 -4.75 120.64 112.47 1wfs n GLU 122 Ca 0.00 0.23 -0.37 0.00 -0.06 0.00 0.00 57.16 56.96 1wfs n GLU 122 Cb 0.57 -2.85 -0.12 0.00 -0.06 0.00 0.00 31.44 28.98 1wfs n GLU 122 CO 0.00 0.00 0.00 -0.51 -0.06 0.00 0.00 177.13 176.56 1wfs s LEU 123 N -3.50 4.49 0.50 4.31 1.43 -1.22 -4.95 118.68 119.74 1wfs s LEU 123 Ca 0.09 -1.34 0.28 0.00 -1.03 0.00 0.00 54.13 52.13 1wfs s LEU 123 Cb -0.01 -1.85 1.29 0.00 0.03 0.00 0.00 46.19 45.64 1wfs s LEU 123 CO 0.19 -0.37 1.98 0.00 0.23 0.00 0.00 176.35 178.38 1wfs h THR 124 N 6.24 0.44 -3.66 5.49 1.03 -1.94 -3.40 112.91 117.11 1wfs h THR 124 Ca -0.21 -0.73 -0.68 0.00 -0.01 0.00 0.00 66.41 64.77 1wfs h THR 124 Cb 1.07 1.52 -0.22 0.00 -1.07 0.00 0.00 68.15 69.45 1wfs h THR 124 CO 0.62 0.13 -0.53 -0.54 -0.01 0.00 0.00 175.52 175.20 1wfs s LYS 125 N -3.89 3.31 -0.24 0.00 1.02 -1.26 -5.06 119.74 113.62 1wfs s LYS 125 Ca -0.01 -0.75 0.01 0.00 0.02 0.00 0.00 55.97 55.24 1wfs s LYS 125 Cb 0.11 -3.66 0.06 0.00 -0.52 0.00 0.00 37.83 33.82 1wfs s LYS 125 CO 0.59 -0.47 -0.06 0.08 -0.92 0.00 0.00 175.35 174.57 1wfs s VAL 126 N 1.64 1.59 -0.10 3.17 1.01 -1.26 -1.04 120.40 125.40 1wfs s VAL 126 Ca 0.05 -1.26 -0.02 0.00 0.00 0.00 0.00 61.98 60.75 1wfs s VAL 126 Cb -0.17 -1.84 -0.03 0.00 0.00 0.00 0.00 36.38 34.34 1wfs s VAL 126 CO 0.08 -0.09 -0.03 -0.36 0.00 0.00 0.00 175.10 174.69 1wfs s PHE 127 N 1.37 3.05 -0.21 5.22 0.08 -0.30 -4.97 117.98 122.21 1wfs s PHE 127 Ca -0.06 -0.01 -0.04 0.00 0.12 0.00 0.00 56.93 56.93 1wfs s PHE 127 Cb -0.19 -1.82 -0.01 0.00 -0.57 0.00 0.00 43.02 40.43 1wfs s PHE 127 CO -0.06 0.26 -0.03 -2.00 -0.10 0.00 0.00 175.22 173.29 1wfs s GLU 128 N -0.46 3.44 -0.17 0.44 2.12 -1.26 -1.80 118.70 121.02 1wfs s GLU 128 Ca 0.07 -0.60 -0.08 0.00 0.36 0.00 0.00 54.97 54.73 1wfs s GLU 128 Cb -0.12 -3.02 -0.04 0.00 0.26 0.00 0.00 34.13 31.21 1wfs s GLU 128 CO 0.02 -0.13 0.09 0.96 -0.54 0.00 0.00 175.26 175.66 1wfs s ILE 129 N 1.33 5.07 -0.15 -3.70 -4.36 -1.05 -4.98 121.20 113.36 1wfs s ILE 129 Ca 0.04 0.06 0.24 0.00 -0.26 0.00 0.00 60.65 60.73 1wfs s ILE 129 Cb -0.14 -3.26 0.27 0.00 1.25 0.00 0.00 42.46 40.58 1wfs s ILE 129 CO -0.01 0.50 1.70 -0.09 0.24 0.00 0.00 174.94 177.28 1wfs h ARG 130 N 6.19 0.00 -1.78 0.37 9.65 -1.87 -3.02 114.38 123.92 1wfs h ARG 130 Ca -0.43 0.00 0.01 0.00 -1.10 0.00 0.00 59.98 58.46 1wfs h ARG 130 Cb 1.18 0.00 -0.22 0.00 -1.39 0.00 0.00 29.97 29.54 1wfs h ARG 130 CO 0.68 0.15 0.35 -0.08 2.80 0.00 0.00 179.97 183.87 1wfs s THR 131 N -3.35 0.00 0.23 0.20 -1.32 -1.26 -3.65 115.64 106.50 1wfs s THR 131 Ca 0.04 0.00 -0.12 0.00 -1.21 0.00 0.00 61.69 60.40 1wfs s THR 131 Cb 0.07 -1.00 0.31 0.00 -1.51 0.00 0.00 72.50 70.37 1wfs s THR 131 CO 0.65 0.00 1.60 0.71 -2.21 0.00 0.00 174.62 175.37 1wfs h THR 132 N 3.09 0.24 -1.73 5.08 1.35 -1.89 0.41 112.91 119.47 1wfs h THR 132 Ca -0.24 0.00 0.53 0.00 -0.55 0.00 0.00 66.41 66.14 1wfs h THR 132 Cb 1.16 0.24 -0.10 0.00 -1.73 0.00 0.00 68.15 67.72 1wfs h THR 132 CO 0.26 0.00 1.21 0.47 -0.25 0.00 0.00 175.52 177.21 1wfs n ASP 133 N -5.50 0.07 -0.15 5.36 9.92 -1.26 0.17 116.55 125.17 1wfs n ASP 133 Ca 0.10 1.09 -0.09 0.00 -0.53 0.00 0.00 54.79 55.37 1wfs n ASP 133 Cb 0.39 -0.54 -0.00 0.00 -0.64 0.00 0.00 41.12 40.32 1wfs n ASP 133 CO 0.00 0.00 0.00 -0.78 0.13 0.00 0.00 177.20 176.55 1wfs h ASP 134 N 0.00 0.58 -0.62 -2.24 3.58 -0.59 -3.39 116.42 113.75 1wfs h ASP 134 Ca 0.89 -0.15 -0.11 0.00 0.42 0.00 0.00 57.03 58.08 1wfs h ASP 134 Cb 3.37 -0.15 0.00 0.00 1.72 0.00 0.00 39.33 44.27 1wfs h ASP 134 CO -0.16 0.57 0.41 -0.11 -2.88 0.00 0.00 179.24 177.08 1wfs n LEU 135 N -4.64 1.88 -4.12 2.28 7.94 0.46 -4.61 117.00 116.20 1wfs n LEU 135 Ca 0.01 -1.25 -0.16 0.00 -1.11 0.00 0.00 56.01 53.49 1wfs n LEU 135 Cb 0.13 -1.63 -0.12 0.00 0.53 0.00 0.00 43.42 42.33 1wfs n LEU 135 CO 0.37 -2.38 -0.44 0.42 -1.11 0.00 0.00 177.39 174.25 1wfs s THR 136 N 14.09 0.87 0.30 1.96 -4.23 -1.26 -4.69 115.64 122.68 1wfs s THR 136 Ca 0.95 -1.14 0.08 0.00 -1.18 0.00 0.00 61.69 60.40 1wfs s THR 136 Cb -0.16 -0.86 0.36 0.00 1.34 0.00 0.00 72.50 73.18 1wfs s THR 136 CO 0.13 -0.24 1.42 1.21 -0.54 0.00 0.00 174.62 176.61 1wfs n GLU 137 N 1.50 -0.07 0.13 3.99 2.13 -1.26 -0.35 120.64 126.72 1wfs n GLU 137 Ca -0.21 1.32 -0.06 0.00 0.66 0.00 0.00 57.16 58.87 1wfs n GLU 137 Cb 0.55 -2.19 -0.03 0.00 0.27 0.00 0.00 31.44 30.03 1wfs n GLU 137 CO 0.00 0.00 0.00 1.15 -0.41 0.00 0.00 177.13 177.87 1wfs h THR 138 N 0.00 0.00 -0.27 6.31 2.02 -1.95 -1.71 112.91 117.31 1wfs h THR 138 Ca 0.63 -0.67 0.08 0.00 0.77 0.00 0.00 66.41 67.21 1wfs h THR 138 Cb 1.45 0.00 -0.01 0.00 -1.74 0.00 0.00 68.15 67.85 1wfs h THR 138 CO -0.80 0.00 0.76 -0.25 0.37 0.00 0.00 175.52 175.60 1wfs h TRP 139 N -1.09 0.00 0.00 3.16 7.01 -1.35 0.45 115.95 124.13 1wfs h TRP 139 Ca -0.04 0.00 0.00 0.00 2.11 0.00 0.00 58.89 60.96 1wfs h TRP 139 Cb 0.32 0.00 0.00 0.00 -2.10 0.00 0.00 29.16 27.38 1wfs h TRP 139 CO 0.00 0.00 -0.35 1.25 -2.79 0.00 0.00 178.44 176.55 1wfs h LEU 140 N 0.00 0.00 -2.16 0.65 7.12 -0.68 -3.32 115.31 116.93 1wfs h LEU 140 Ca 0.13 0.00 0.00 0.00 0.13 0.00 0.00 57.88 58.14 1wfs h LEU 140 Cb 1.64 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 41.77 1wfs h LEU 140 CO -0.00 0.60 0.07 0.11 -0.13 0.00 0.00 178.44 179.08 1wfs h LYS 141 N -0.84 0.00 -0.10 1.25 1.57 -0.28 -1.44 116.57 116.73 1wfs h LYS 141 Ca 0.00 0.00 -0.11 0.00 -1.87 0.00 0.00 60.65 58.67 1wfs h LYS 141 Cb 0.35 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.67 1wfs h LYS 141 CO 0.00 0.00 -0.37 0.93 -0.57 0.00 0.00 179.45 179.44 1wfs h GLU 142 N 0.00 0.42 -0.15 3.15 5.08 -0.31 -0.38 114.58 122.40 1wfs h GLU 142 Ca 0.00 -0.32 -0.06 0.00 -1.00 0.00 0.00 59.36 57.98 1wfs h GLU 142 Cb 0.14 0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.44 1wfs h GLU 142 CO 0.00 0.95 -0.18 0.87 -1.00 0.00 0.00 179.01 179.65 1wfs h LYS 143 N -0.02 0.24 0.01 2.33 1.79 -1.36 -2.28 116.57 117.28 1wfs h LYS 143 Ca -0.02 -0.07 -0.02 0.00 -2.18 0.00 0.00 60.65 58.37 1wfs h LYS 143 Cb 1.00 -0.03 0.00 0.00 -1.58 0.00 0.00 32.23 31.63 1wfs h LYS 143 CO 0.08 0.43 -0.08 -0.07 -1.08 0.00 0.00 179.45 178.73 1wfs h LEU 144 N 0.23 0.06 -0.53 2.94 3.38 -1.51 -3.02 115.31 116.86 1wfs h LEU 144 Ca 0.04 -0.89 0.06 0.00 0.09 0.00 0.00 57.88 57.18 1wfs h LEU 144 Cb 0.46 -0.02 -0.09 0.00 0.09 0.00 0.00 40.66 41.11 1wfs h LEU 144 CO 0.03 0.94 -0.52 0.00 0.09 0.00 0.00 178.44 178.98 1wfs h ALA 145 N 0.12 -0.68 0.00 1.53 0.00 -1.00 -3.41 119.26 115.82 1wfs h ALA 145 Ca -0.01 0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.90 1wfs h ALA 145 Cb 0.96 1.17 -0.04 0.00 0.00 0.00 0.00 17.79 19.88 1wfs h ALA 145 CO 0.01 -0.97 0.07 0.45 0.00 0.00 0.00 179.25 178.82 1wfs n SER 146 N -5.14 -0.43 -2.67 0.00 2.88 -1.13 -5.11 113.62 102.03 1wfs n SER 146 Ca -0.02 -1.25 -0.03 0.00 -1.33 0.00 0.00 58.87 56.24 1wfs n SER 146 Cb 0.29 0.37 0.03 0.00 -0.75 0.00 0.00 64.21 64.15 1wfs n SER 146 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1wfs n GLY 147 N -0.25 -2.66 2.46 0.46 0.00 -0.87 -5.00 105.19 99.32 1wfs n GLY 147 Ca -0.11 -1.42 -0.21 0.00 0.00 0.00 0.00 46.02 44.28 1wfs n GLY 147 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1wfs n PRO 148 N -1.92 -2.52 -2.81 1.61 -0.04 -1.26 -5.01 135.00 123.05 1wfs n PRO 148 Ca 0.02 -1.23 -0.01 0.00 -0.04 0.00 0.00 63.50 62.24 1wfs n PRO 148 Cb 0.06 -1.15 0.01 0.00 -0.04 0.00 0.00 33.50 32.38 1wfs n PRO 148 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1wfs s SER 149 N -3.57 -0.66 -0.40 3.54 0.15 -1.26 -5.07 113.70 106.43 1wfs s SER 149 Ca 0.50 -0.52 0.01 0.00 0.70 0.00 0.00 55.95 56.64 1wfs s SER 149 Cb -0.05 0.86 0.14 0.00 -1.71 0.00 0.00 66.02 65.26 1wfs s SER 149 CO 0.38 -0.05 0.25 -0.44 1.20 0.00 0.00 173.24 174.58 1wfs s SER 150 N 1.51 3.05 0.00 5.45 0.01 -1.26 -5.24 113.70 117.22 1wfs s SER 150 Ca 0.19 -2.51 0.00 0.00 1.31 0.00 0.00 55.95 54.95 1wfs s SER 150 Cb 0.04 -0.66 0.00 0.00 0.21 0.00 0.00 66.02 65.62 1wfs s SER 150 CO -0.11 -0.27 0.00 0.61 0.41 0.00 0.00 173.24 173.88